Macromolecular dictionary (mmCIF) version 2.0.09

Category CELL_MEASUREMENT_REFLN

Name:
'cell_measurement_refln'

Description:

   Data items in the CELL_MEASUREMENT_REFLN category record
   details about the reflections used to determine the
   crystallographic cell parameters.

   The CELL_MEASUREMENT_REFLN data items would in general be used
   only for diffractometer data.

Example:

Example 1 - extracted from the CAD-4 listing of Rb~2~S~2~O~6~ at room temperature (unpublished).

 
    loop_
    _cell_measurement_refln.index_h
    _cell_measurement_refln.index_k
    _cell_measurement_refln.index_l
    _cell_measurement_refln.theta
       -2    4    1          8.67
        0    3    2          9.45
        3    0    2          9.46
       -3    4    1          8.93
       -2    1   -2          7.53
       10    0    0         23.77
        0   10    0         23.78
       -5    4    1         11.14
      # - - - - data truncated for brevity - - - -

Category groups:
    inclusive_group
    cell_group
Category keys:
    _cell_measurement_refln.index_h
    _cell_measurement_refln.index_k
    _cell_measurement_refln.index_l

Mandatory category: no